UCSF

ZINC60017046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 21 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 7.76 -9.34 1 4 0 49 329.227 3
Hi High (pH 8-9.5) 2.82 6.38 -46.47 0 4 -1 56 328.219 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.